- InChI
- InChI=1S/C39H72/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-34-38(39-36-32-29-33-37-39)35-31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32-33,36-38H,3-28,30-31,34-35H2,1-2H3
- InChI Key
- UZKLDVKDLHPERA-UHFFFAOYSA-N
- Formula
- C39H72
- SMILES
-
CCCCCCCCCCCCCCCCC(CCCCCCCCCCCC
CCCC)c1ccccc1 - Molecular Weight1
- 540.99
- CAS
- 55517-74-3
- Other Names
-
- 17-Phenyltritriacontane
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 1.4106 | Relay (1.0) Calculated Property | |
| ΔfG° | 387.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -607.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 87.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 174.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 14.513 | Crippen Calculated Property | |
| McVol | 536.610 | ml/mol | McGowan Calculated Property |
| Pc | 467.90 | kPa | Joback Calculated Property |
| Tboil | 721.61 | K | Relay (1.0) Calculated Property |
| Tc | 909.15 | K | Relay (1.0) Calculated Property |
| Tfus | 312.61 | K | Relay (1.0) Calculated Property |
| Vc | 2.061 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 147.10 | kJ/mol | 557.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [775.25; 1913.39] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -6.81500e+01 | |||
| Coefficient B | 3.63584e+00 | |||
| Coefficient C | -2.13220e-03 | |||
| Coefficient D | 4.77900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 775.25 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 972.43 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1148.40 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1304.68 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1442.77 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1564.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1670.46 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1763.07 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1843.54 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1913.39 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002665; 0.0000085] | Pa×s | [540.71; 999.88] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.57276e+01 | |||
| Coefficient B | 4.05392e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 540.71 | |||
| Temperature range, max. | 999.88 | |||
| η | 0.0002665 | Pa×s | 540.71 | Calculated Property |
| η | 0.0001396 | Pa×s | 591.73 | Calculated Property |
| η | 0.0000811 | Pa×s | 642.75 | Calculated Property |
| η | 0.0000510 | Pa×s | 693.77 | Calculated Property |
| η | 0.0000342 | Pa×s | 744.79 | Calculated Property |
| η | 0.0000241 | Pa×s | 795.81 | Calculated Property |
| η | 0.0000177 | Pa×s | 846.83 | Calculated Property |
| η | 0.0000135 | Pa×s | 897.85 | Calculated Property |
| η | 0.0000106 | Pa×s | 948.86 | Calculated Property |
| η | 0.0000085 | Pa×s | 999.88 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [596.00; 885.10] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.29231e+01 | |||
| Coefficient B | -5.53446e+03 | |||
| Coefficient C | -1.57990e+02 | |||
| Temperature range, min. | 596.00 | |||
| Temperature range, max. | 885.10 | |||
| Pvap | 1.33 | kPa | 596.00 | Calculated Property |
| Pvap | 3.16 | kPa | 628.12 | Calculated Property |
| Pvap | 6.71 | kPa | 660.24 | Calculated Property |
| Pvap | 13.02 | kPa | 692.37 | Calculated Property |
| Pvap | 23.42 | kPa | 724.49 | Calculated Property |
| Pvap | 39.56 | kPa | 756.61 | Calculated Property |
| Pvap | 63.34 | kPa | 788.73 | Calculated Property |
| Pvap | 96.91 | kPa | 820.86 | Calculated Property |
| Pvap | 142.55 | kPa | 852.98 | Calculated Property |
| Pvap | 202.65 | kPa | 885.10 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (1-hexadecylheptadecyl)-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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